2-[[4-butyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(5-methylthiophen-2-yl)ethanone

Systemtic Name: 2-[[4-butyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(5-methylthiophen-2-yl)ethanone Openeye Name: 2-[[4-butyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(5-methyl-2-thienyl)ethanone CAS Name: 2-[[4-butyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]thio]-1-(5-methyl-2-thiophenyl)ethanone IUPAC Name: 2-[[4-butyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(5-methylthiophen-2-yl)ethanone Traditional Name: 2-[[4-butyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]thio]-1-(5-methyl-2-thienyl)ethanone Formula: C20H23N3O2S2 MolecularWeight: 401.54552

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=NN=C1SCC(=O)C2=CC=C(S2)C)C3=CC=C(C=C3)OC

Isomeric SMILES

CCCCN1C(=NN=C1SCC(=O)C2=CC=C(S2)C)C3=CC=C(C=C3)OC

InChI

InChI=1S/C20H23N3O2S2/c1-4-5-12-23-19(15-7-9-16(25-3)10-8-15)21-22-20(23)26-13-17(24)18-11-6-14(2)27-18/h6-11H,4-5,12-13H2,1-3H3